#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mug s GLN 3 N 0.00 0.58 -0.08 3.49 -0.21 0.45 -4.98 119.66 118.91 3mug s GLN 3 Ca 0.00 -0.83 -0.02 0.00 0.02 0.00 0.00 55.36 54.53 3mug s GLN 3 Cb 0.00 -0.31 0.03 0.00 1.00 0.00 0.00 33.01 33.73 3mug s GLN 3 CO 0.00 0.05 0.03 -0.51 -2.12 0.00 0.00 175.29 172.74 3mug s LEU 4 N -1.74 0.50 -0.27 2.90 1.43 -1.26 -1.58 118.68 118.65 3mug s LEU 4 Ca -0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 3mug s LEU 4 Cb -0.08 -0.35 0.05 0.00 0.03 0.00 0.00 46.19 45.83 3mug s LEU 4 CO -0.00 -0.23 -0.06 -0.69 0.23 0.00 0.00 176.35 175.59 3mug s VAL 5 N 2.03 2.63 0.28 -1.59 1.01 -0.03 -4.13 120.40 120.60 3mug s VAL 5 Ca 0.04 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.44 3mug s VAL 5 Cb -0.13 -2.47 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 3mug s VAL 5 CO -0.05 0.01 0.79 -1.61 0.00 0.00 0.00 175.10 174.24 3mug s GLU 6 N 1.21 4.24 0.20 2.72 8.01 -1.26 -1.67 118.70 132.15 3mug s GLU 6 Ca -0.05 0.92 -0.10 0.00 0.01 0.00 0.00 54.97 55.75 3mug s GLU 6 Cb -0.19 -2.69 -0.01 0.00 -4.31 0.00 0.00 34.13 26.94 3mug s GLU 6 CO -0.04 0.27 0.35 -1.12 0.01 0.00 0.00 175.26 174.74 3mug s SER 7 N -1.85 -0.02 0.00 -0.19 0.01 -0.51 -4.77 113.70 106.36 3mug s SER 7 Ca 0.49 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.85 3mug s SER 7 Cb -0.15 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.57 3mug s SER 7 CO 0.20 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.48 3mug n GLY 8 N -0.28 2.85 3.71 3.44 0.00 -1.26 -1.58 105.19 112.06 3mug n GLY 8 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3mug n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mug s GLY 9 N -2.57 1.91 0.00 -0.02 0.00 -1.26 -4.86 107.32 100.52 3mug s GLY 9 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.34 3mug s GLY 9 CO 0.00 1.02 0.00 0.61 0.00 0.00 0.00 173.10 174.73 3mug n GLY 10 N -0.03 -0.98 3.63 0.20 0.00 -0.18 -4.90 105.19 102.93 3mug n GLY 10 Ca 0.12 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 3mug n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mug s VAL 11 N -3.00 5.00 0.04 1.61 1.01 -1.26 -0.75 120.40 123.04 3mug s VAL 11 Ca 0.00 1.12 0.06 0.00 0.00 0.00 0.00 61.98 63.15 3mug s VAL 11 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 3mug s VAL 11 CO 0.00 0.05 -0.16 0.68 0.00 0.00 0.00 175.10 175.67 3mug s VAL 12 N 2.39 1.27 0.21 2.92 -7.23 0.67 -4.96 120.40 115.67 3mug s VAL 12 Ca 0.26 -1.03 -0.25 0.00 -1.81 0.00 0.00 61.98 59.15 3mug s VAL 12 Cb -0.16 -1.13 -0.08 0.00 0.56 0.00 0.00 36.38 35.57 3mug s VAL 12 CO 0.09 0.09 0.82 -1.10 -0.31 0.00 0.00 175.10 174.68 3mug s GLN 13 N -1.09 4.55 0.60 4.82 -0.21 -1.25 -0.82 119.66 126.26 3mug s GLN 13 Ca 0.04 1.18 -0.20 0.00 0.02 0.00 0.00 55.36 56.39 3mug s GLN 13 Cb -0.08 -3.12 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 3mug s GLN 13 CO 0.01 0.49 1.32 -1.25 -2.12 0.00 0.00 175.29 173.74 3mug s PRO 14 N -1.45 2.86 0.00 2.91 0.04 -1.26 -2.77 135.00 135.32 3mug s PRO 14 Ca 0.40 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.59 3mug s PRO 14 Cb -0.22 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3mug s PRO 14 CO 0.26 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.32 3mug n GLY 15 N 0.80 1.09 3.95 0.56 0.00 0.24 -4.87 105.19 106.97 3mug n GLY 15 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3mug n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mug s GLY 16 N -1.79 1.69 0.12 -0.02 0.00 -1.12 -4.10 107.32 102.10 3mug s GLY 16 Ca 0.00 -1.11 -0.00 0.00 0.00 0.00 0.00 44.72 43.61 3mug s GLY 16 CO 0.00 -0.86 0.29 -0.56 0.00 0.00 0.00 173.10 171.97 3mug s SER 17 N -4.34 6.38 -0.20 1.64 0.01 -1.26 -0.49 113.70 115.43 3mug s SER 17 Ca 0.54 0.32 -0.14 0.00 1.31 0.00 0.00 55.95 57.97 3mug s SER 17 Cb -0.10 -1.98 0.06 0.00 0.21 0.00 0.00 66.02 64.21 3mug s SER 17 CO 0.40 0.08 0.52 -0.22 0.41 0.00 0.00 173.24 174.43 3mug s LEU 18 N -2.86 -0.25 -0.19 2.44 2.96 -0.76 -4.97 118.68 115.05 3mug s LEU 18 Ca 0.36 1.09 -0.03 0.00 -0.22 0.00 0.00 54.13 55.34 3mug s LEU 18 Cb -0.12 1.75 -0.01 0.00 0.50 0.00 0.00 46.19 48.31 3mug s LEU 18 CO 0.28 -0.20 -0.06 -0.60 -1.32 0.00 0.00 176.35 174.45 3mug s ARG 19 N 1.02 3.44 0.03 1.98 3.52 -1.26 0.39 118.95 128.07 3mug s ARG 19 Ca -0.06 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3mug s ARG 19 Cb -0.06 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 3mug s ARG 19 CO -0.09 -0.04 0.13 -0.51 -0.81 0.00 0.00 175.30 173.98 3mug s LEU 20 N 1.08 4.09 0.18 -0.88 1.43 0.44 -4.66 118.68 120.35 3mug s LEU 20 Ca 0.01 0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.36 3mug s LEU 20 Cb -0.15 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3mug s LEU 20 CO -0.00 0.22 -0.15 -0.44 0.23 0.00 0.00 176.35 176.21 3mug s SER 21 N -2.16 2.45 -0.20 2.29 0.01 -0.62 -1.87 113.70 113.61 3mug s SER 21 Ca 0.29 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.55 3mug s SER 21 Cb -0.12 -0.12 0.10 0.00 0.21 0.00 0.00 66.02 66.08 3mug s SER 21 CO 0.21 -0.15 0.26 0.00 0.41 0.00 0.00 173.24 173.97 3mug s LEU 23 N 2.39 4.13 0.05 0.00 2.96 -0.67 -0.66 118.68 126.88 3mug s LEU 23 Ca 0.07 0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 3mug s LEU 23 Cb -0.15 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 3mug s LEU 23 CO -0.12 -0.13 0.26 0.00 -1.32 0.00 0.00 176.35 175.03 3mug s ALA 24 N 1.57 3.91 0.06 5.97 0.00 0.13 -0.85 121.76 132.55 3mug s ALA 24 Ca 0.20 -0.70 -0.17 0.00 0.00 0.00 0.00 51.96 51.29 3mug s ALA 24 Cb -0.15 -1.96 0.03 0.00 0.00 0.00 0.00 23.12 21.04 3mug s ALA 24 CO 0.09 0.73 0.39 -1.54 0.00 0.00 0.00 175.76 175.43 3mug s SER 25 N -2.18 -0.24 0.00 0.00 1.04 -0.62 -4.88 113.70 106.82 3mug s SER 25 Ca 0.33 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.64 3mug s SER 25 Cb -0.13 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3mug s SER 25 CO 0.22 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3mug n GLY 26 N 0.33 0.45 3.48 7.32 0.00 -1.26 -0.41 105.19 115.09 3mug n GLY 26 Ca -0.18 -0.51 -0.11 0.00 0.00 0.00 0.00 46.02 45.23 3mug n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mug s PHE 27 N -2.00 -0.46 -1.05 1.61 -0.71 -1.26 -3.92 117.98 110.19 3mug s PHE 27 Ca 0.00 0.25 -0.21 0.00 -1.04 0.00 0.00 56.93 55.93 3mug s PHE 27 Cb 0.00 0.57 0.08 0.00 -1.21 0.00 0.00 43.02 42.46 3mug s PHE 27 CO 0.00 -0.80 1.42 -0.08 -1.34 0.00 0.00 175.22 174.42 3mug s THR 28 N -3.59 4.20 0.28 -4.49 -1.32 -1.26 -4.91 115.64 104.56 3mug s THR 28 Ca 0.03 -1.23 -0.06 0.00 -1.21 0.00 0.00 61.69 59.22 3mug s THR 28 Cb -0.01 -5.01 0.44 0.00 -1.51 0.00 0.00 72.50 66.41 3mug s THR 28 CO -0.10 -1.84 1.53 0.33 -2.21 0.00 0.00 174.62 172.33 3mug n PHE 29 N 8.08 0.41 0.21 9.09 7.35 -1.26 -2.57 117.46 138.77 3mug n PHE 29 Ca 0.34 1.19 0.11 0.00 -0.76 0.00 0.00 57.45 58.32 3mug n PHE 29 Cb 0.49 -1.10 0.54 0.00 0.35 0.00 0.00 39.48 39.76 3mug n PHE 29 CO 0.00 0.00 0.00 -2.39 -0.76 0.00 0.00 176.76 173.61 3mug n HIS 30 N -5.57 0.71 0.79 -5.13 1.44 -1.26 -2.59 115.22 103.62 3mug n HIS 30 Ca 0.17 0.35 0.11 0.00 -2.01 0.00 0.00 57.72 56.34 3mug n HIS 30 Cb 0.54 -1.06 -0.01 0.00 0.12 0.00 0.00 29.99 29.58 3mug n HIS 30 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3mug n LYS 31 N -2.22 0.14 -4.43 -1.40 5.02 -1.06 -4.34 118.16 109.88 3mug n LYS 31 Ca -0.01 -0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.95 3mug n LYS 31 Cb 0.08 -1.53 -0.10 0.00 -0.02 0.00 0.00 35.03 33.45 3mug n LYS 31 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3mug s TYR 32 N -3.10 2.89 0.54 2.13 2.02 -1.07 -4.79 117.35 115.97 3mug s TYR 32 Ca 0.06 -0.04 -0.18 0.00 -0.37 0.00 0.00 57.07 56.55 3mug s TYR 32 Cb 0.16 -1.60 -0.06 0.00 -0.40 0.00 0.00 41.96 40.05 3mug s TYR 32 CO 0.82 0.38 1.04 0.20 -1.57 0.00 0.00 175.55 176.42 3mug s GLY 33 N -1.48 2.28 0.01 0.71 0.00 -1.26 -3.95 107.32 103.65 3mug s GLY 33 Ca 0.18 0.46 0.03 0.00 0.00 0.00 0.00 44.72 45.38 3mug s GLY 33 CO 0.08 0.77 -0.09 1.06 0.00 0.00 0.00 173.10 174.93 3mug s MET 34 N -3.71 0.66 0.33 2.90 1.00 -0.58 -0.78 119.30 119.12 3mug s MET 34 Ca 0.65 -0.48 0.10 0.00 0.00 0.00 0.00 55.69 55.95 3mug s MET 34 Cb -0.15 -0.60 -0.06 0.00 0.00 0.00 0.00 34.83 34.02 3mug s MET 34 CO 0.29 0.15 -0.09 -1.01 0.00 0.00 0.00 175.02 174.36 3mug s HIS 35 N -0.59 2.42 -0.10 -0.03 3.76 0.69 -1.23 115.29 120.21 3mug s HIS 35 Ca -0.00 -0.46 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 3mug s HIS 35 Cb -0.06 -1.34 0.01 0.00 1.11 0.00 0.00 32.58 32.31 3mug s HIS 35 CO 0.00 0.59 -0.17 -1.58 -0.85 0.00 0.00 174.74 172.73 3mug s TRP 36 N -2.57 2.06 -0.06 1.40 0.52 -0.69 -2.01 118.94 117.58 3mug s TRP 36 Ca 0.32 -0.94 0.04 0.00 0.02 0.00 0.00 56.10 55.54 3mug s TRP 36 Cb 0.01 -1.46 0.00 0.00 -1.15 0.00 0.00 33.47 30.87 3mug s TRP 36 CO 0.17 -0.46 -0.16 0.08 0.02 0.00 0.00 176.95 176.60 3mug s VAL 37 N 0.84 1.41 0.26 4.03 1.01 0.02 -0.77 120.40 127.20 3mug s VAL 37 Ca -0.09 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.30 3mug s VAL 37 Cb -0.15 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3mug s VAL 37 CO 0.01 0.41 0.07 0.00 0.00 0.00 0.00 175.10 175.59 3mug s ARG 38 N 0.28 2.54 -0.27 2.72 1.70 0.73 0.55 118.95 127.19 3mug s ARG 38 Ca -0.09 -1.28 -0.03 0.00 -0.47 0.00 0.00 55.73 53.85 3mug s ARG 38 Cb -0.14 -2.32 0.10 0.00 -0.57 0.00 0.00 34.95 32.03 3mug s ARG 38 CO 0.04 0.38 0.17 -1.14 -1.08 0.00 0.00 175.30 173.66 3mug s GLN 39 N -3.74 0.20 0.48 3.89 0.74 0.27 -0.29 119.66 121.20 3mug s GLN 39 Ca 0.32 -0.35 -0.23 0.00 0.05 0.00 0.00 55.36 55.15 3mug s GLN 39 Cb -0.07 -1.14 -0.07 0.00 1.10 0.00 0.00 33.01 32.83 3mug s GLN 39 CO 0.22 -0.96 1.30 0.00 -0.55 0.00 0.00 175.29 175.30 3mug s ALA 40 N 2.17 3.01 0.10 1.58 0.00 -1.26 -1.98 121.76 125.38 3mug s ALA 40 Ca 0.08 1.21 -0.34 0.00 0.00 0.00 0.00 51.96 52.91 3mug s ALA 40 Cb -0.16 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.34 3mug s ALA 40 CO -0.31 -1.02 1.69 -2.30 0.00 0.00 0.00 175.76 173.82 3mug n PRO 41 N -0.52 2.26 -0.98 0.00 -0.02 -1.26 -1.43 135.00 133.05 3mug n PRO 41 Ca 0.07 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3mug n PRO 41 Cb 0.45 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3mug n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3mug n GLY 42 N 3.78 0.29 0.66 -1.23 0.00 -1.26 -4.99 105.19 102.45 3mug n GLY 42 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 3mug n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mug n LYS 43 N -1.24 1.31 -2.49 1.61 4.76 -0.51 -5.15 118.16 116.46 3mug n LYS 43 Ca 0.00 -0.59 -0.24 0.00 -2.87 0.00 0.00 58.31 54.61 3mug n LYS 43 Cb 0.21 0.05 0.04 0.00 -1.84 0.00 0.00 35.03 33.50 3mug n LYS 43 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3mug s GLY 44 N -2.02 1.69 0.32 0.72 0.00 -1.26 -4.77 107.32 101.99 3mug s GLY 44 Ca 0.06 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.50 3mug s GLY 44 CO 0.04 -0.69 1.19 1.08 0.00 0.00 0.00 173.10 174.72 3mug s LEU 45 N -4.94 4.45 -0.05 0.66 1.43 -1.26 -4.20 118.68 114.77 3mug s LEU 45 Ca 0.56 2.44 -0.02 0.00 -1.03 0.00 0.00 54.13 56.08 3mug s LEU 45 Cb -0.10 -3.69 0.03 0.00 0.03 0.00 0.00 46.19 42.45 3mug s LEU 45 CO 0.42 -0.37 0.05 -0.70 0.23 0.00 0.00 176.35 175.98 3mug s GLU 46 N -1.71 0.07 0.18 1.70 2.12 0.60 -4.99 118.70 116.67 3mug s GLU 46 Ca 0.48 0.32 -0.31 0.00 0.36 0.00 0.00 54.97 55.82 3mug s GLU 46 Cb -0.35 -0.61 -0.10 0.00 0.26 0.00 0.00 34.13 33.34 3mug s GLU 46 CO 0.45 -0.32 1.53 -0.46 -0.54 0.00 0.00 175.26 175.92 3mug s TRP 47 N 2.13 3.07 -0.16 5.30 -0.00 -1.26 -0.19 118.94 127.82 3mug s TRP 47 Ca 0.05 0.72 -0.14 0.00 -0.00 0.00 0.00 56.10 56.74 3mug s TRP 47 Cb -0.12 -3.89 -0.06 0.00 -0.00 0.00 0.00 33.47 29.40 3mug s TRP 47 CO -0.03 -3.21 -0.29 0.28 -0.00 0.00 0.00 176.95 173.70 3mug n VAL 48 N 3.66 1.40 -3.72 5.86 0.31 0.05 -4.69 118.33 121.20 3mug n VAL 48 Ca 0.12 0.05 -0.07 0.00 -0.01 0.00 0.00 64.34 64.43 3mug n VAL 48 Cb 0.39 -2.10 -0.02 0.00 -0.91 0.00 0.00 33.84 31.20 3mug n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mug s ALA 49 N -2.66 -1.47 -0.01 3.52 0.00 -1.11 -0.93 121.76 119.11 3mug s ALA 49 Ca -0.26 0.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.78 3mug s ALA 49 Cb 0.06 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.94 3mug s ALA 49 CO 0.37 -0.96 0.01 -1.17 0.00 0.00 0.00 175.76 174.01 3mug s LEU 50 N -2.85 1.78 -0.04 0.00 2.96 -0.40 -1.71 118.68 118.41 3mug s LEU 50 Ca 0.09 0.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.08 3mug s LEU 50 Cb -0.03 0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.65 3mug s LEU 50 CO 0.01 -0.03 -0.23 -0.51 -1.32 0.00 0.00 176.35 174.27 3mug s ILE 51 N 0.24 1.84 0.81 6.68 2.07 -0.36 -0.76 121.20 131.71 3mug s ILE 51 Ca -0.02 -0.97 -0.11 0.00 -1.41 0.00 0.00 60.65 58.15 3mug s ILE 51 Cb -0.03 -1.55 0.08 0.00 0.13 0.00 0.00 42.46 41.09 3mug s ILE 51 CO -0.01 0.52 1.09 -0.94 -1.91 0.00 0.00 174.94 173.69 3mug s SER 52 N -0.26 4.21 0.27 4.50 1.04 0.15 -1.52 113.70 122.08 3mug s SER 52 Ca 0.01 1.71 -0.03 0.00 0.48 0.00 0.00 55.95 58.12 3mug s SER 52 Cb -0.12 -2.40 0.57 0.00 0.10 0.00 0.00 66.02 64.17 3mug s SER 52 CO 0.02 -2.21 1.64 -2.24 0.98 0.00 0.00 173.24 171.43 3mug h ASP 52 N -1.25 -0.17 0.71 7.02 2.03 -1.84 -0.69 116.42 122.23 3mug h ASP 52 Ca -0.45 0.20 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 3mug h ASP 52 Cb 1.25 0.30 0.00 0.00 -0.83 0.00 0.00 39.33 40.05 3mug h ASP 52 CO 0.53 -0.16 -0.19 -0.90 -1.03 0.00 0.00 179.24 177.49 3mug n ASP 53 N -5.28 0.25 -0.01 4.15 5.68 -1.26 -4.69 116.55 115.38 3mug n ASP 53 Ca 0.17 0.05 -0.00 0.00 -0.50 0.00 0.00 54.79 54.51 3mug n ASP 53 Cb 0.57 -0.17 -0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3mug n ASP 53 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mug n GLY 54 N 1.46 0.47 0.08 6.12 0.00 -0.26 -4.93 105.19 108.12 3mug n GLY 54 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 3mug n GLY 54 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3mug h MET 55 N 0.81 0.00 -4.87 1.61 2.86 -1.92 -3.45 114.93 109.96 3mug h MET 55 Ca -0.00 0.00 -0.67 0.00 -2.06 0.00 0.00 59.70 56.96 3mug h MET 55 Cb 0.06 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 31.43 3mug h MET 55 CO 0.01 0.53 -0.69 1.03 1.06 0.00 0.00 176.91 178.85 3mug s ARG 56 N -2.68 2.99 -0.04 1.72 1.81 -1.26 -5.01 118.95 116.49 3mug s ARG 56 Ca -0.03 -0.90 0.06 0.00 -1.72 0.00 0.00 55.73 53.15 3mug s ARG 56 Cb 0.08 -3.16 -0.02 0.00 -0.45 0.00 0.00 34.95 31.40 3mug s ARG 56 CO 0.82 -0.40 -0.23 0.15 -0.68 0.00 0.00 175.30 174.95 3mug s LYS 57 N 1.42 2.33 -0.03 3.54 1.02 -1.26 -0.68 119.74 126.08 3mug s LYS 57 Ca 0.02 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.16 3mug s LYS 57 Cb -0.17 -2.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.99 3mug s LYS 57 CO -0.01 0.52 -0.11 0.71 -0.92 0.00 0.00 175.35 175.54 3mug s TYR 58 N -0.50 1.13 0.07 3.18 2.02 0.06 -5.00 117.35 118.30 3mug s TYR 58 Ca 0.06 -0.29 0.05 0.00 -0.37 0.00 0.00 57.07 56.53 3mug s TYR 58 Cb -0.11 -0.78 -0.03 0.00 -0.40 0.00 0.00 41.96 40.64 3mug s TYR 58 CO 0.01 -0.10 -0.14 -1.01 -1.57 0.00 0.00 175.55 172.73 3mug s HIS 59 N 0.10 1.22 0.77 2.71 3.76 -1.26 -1.28 115.29 121.31 3mug s HIS 59 Ca -0.02 -0.44 -0.11 0.00 -0.15 0.00 0.00 55.06 54.34 3mug s HIS 59 Cb -0.09 -0.69 0.06 0.00 1.11 0.00 0.00 32.58 32.97 3mug s HIS 59 CO 0.01 0.05 1.10 -1.54 -0.85 0.00 0.00 174.74 173.51 3mug s SER 60 N -1.62 4.40 0.38 1.40 1.04 -0.10 -4.77 113.70 114.44 3mug s SER 60 Ca -0.01 1.90 0.16 0.00 0.48 0.00 0.00 55.95 58.47 3mug s SER 60 Cb -0.10 -2.53 0.76 0.00 0.10 0.00 0.00 66.02 64.25 3mug s SER 60 CO 0.02 -2.10 1.81 0.44 0.98 0.00 0.00 173.24 174.38 3mug h ASP 61 N -1.04 0.00 0.90 7.02 3.32 -1.94 0.34 116.42 125.02 3mug h ASP 61 Ca -0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 3mug h ASP 61 Cb 1.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 3mug h ASP 61 CO 0.51 0.37 -0.10 -1.28 -1.72 0.00 0.00 179.24 177.02 3mug h SER 62 N 0.00 0.00 0.00 6.45 0.87 -1.96 -3.28 113.55 115.63 3mug h SER 62 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3mug h SER 62 Cb 0.74 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3mug h SER 62 CO 0.05 0.10 -1.37 0.23 -0.53 0.00 0.00 176.83 175.31 3mug n MET 63 N -3.27 0.52 -1.64 2.24 2.81 -1.04 -4.98 117.12 111.75 3mug n MET 63 Ca 0.00 -0.06 -0.47 0.00 -1.81 0.00 0.00 57.70 55.36 3mug n MET 63 Cb 0.34 -1.18 -0.04 0.00 -0.71 0.00 0.00 33.22 31.63 3mug n MET 63 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 3mug n TRP 64 N -1.82 1.94 0.00 2.03 5.03 0.08 -1.67 117.44 123.03 3mug n TRP 64 Ca -0.03 0.46 0.00 0.00 3.03 0.00 0.00 57.50 60.97 3mug n TRP 64 Cb 0.26 -2.43 0.00 0.00 -1.03 0.00 0.00 31.31 28.11 3mug n TRP 64 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 3mug n GLY 65 N 2.55 3.10 0.11 6.99 0.00 -1.26 -4.79 105.19 111.88 3mug n GLY 65 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 3mug n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mug n ARG 66 N -1.46 0.76 -4.29 1.61 1.74 -0.67 -5.00 116.66 109.35 3mug n ARG 66 Ca 0.00 0.05 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 3mug n ARG 66 Cb 0.00 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.84 3mug n ARG 66 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3mug s VAL 67 N -2.48 3.00 -0.08 1.55 -7.23 -0.89 -4.47 120.40 109.81 3mug s VAL 67 Ca -0.19 -1.51 0.01 0.00 -1.81 0.00 0.00 61.98 58.48 3mug s VAL 67 Cb 0.07 -2.41 0.02 0.00 0.56 0.00 0.00 36.38 34.62 3mug s VAL 67 CO 0.70 0.05 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.58 3mug s THR 68 N -1.29 0.84 -0.06 5.32 2.01 -0.15 -4.85 115.64 117.47 3mug s THR 68 Ca 0.20 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.84 3mug s THR 68 Cb -0.10 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.51 3mug s THR 68 CO 0.12 0.31 0.28 -0.51 -0.69 0.00 0.00 174.62 174.13 3mug s ILE 69 N 1.23 5.25 0.20 1.82 2.07 -1.26 -0.46 121.20 130.05 3mug s ILE 69 Ca -0.05 0.55 -0.15 0.00 -1.41 0.00 0.00 60.65 59.59 3mug s ILE 69 Cb -0.14 -3.57 0.01 0.00 0.13 0.00 0.00 42.46 38.90 3mug s ILE 69 CO -0.02 0.60 0.47 -0.94 -1.91 0.00 0.00 174.94 173.14 3mug s SER 70 N -1.05 -0.17 -0.00 4.50 1.04 -1.07 -5.01 113.70 111.94 3mug s SER 70 Ca 0.20 -0.63 -0.14 0.00 0.48 0.00 0.00 55.95 55.85 3mug s SER 70 Cb -0.15 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3mug s SER 70 CO 0.09 -1.04 0.29 0.00 0.98 0.00 0.00 173.24 173.56 3mug s ARG 71 N -3.92 0.67 -0.45 4.02 1.70 -1.26 -0.33 118.95 119.38 3mug s ARG 71 Ca 0.13 -0.26 0.03 0.00 -0.47 0.00 0.00 55.73 55.16 3mug s ARG 71 Cb -0.00 0.29 0.12 0.00 -0.57 0.00 0.00 34.95 34.79 3mug s ARG 71 CO -0.00 -0.19 0.19 0.34 -1.08 0.00 0.00 175.30 174.56 3mug s ASP 72 N -1.44 4.34 0.20 -2.89 3.68 -0.07 -4.98 116.67 115.51 3mug s ASP 72 Ca -0.12 -2.64 0.16 0.00 2.13 0.00 0.00 52.55 52.07 3mug s ASP 72 Cb -0.05 -1.51 0.79 0.00 -1.45 0.00 0.00 42.92 40.70 3mug s ASP 72 CO 0.03 -0.29 1.49 0.59 0.13 0.00 0.00 175.17 177.12 3mug n ASN 73 N 3.59 0.39 0.07 -0.34 3.02 -1.26 -1.43 115.26 119.29 3mug n ASN 73 Ca 0.05 0.65 0.01 0.00 -0.03 0.00 0.00 54.58 55.26 3mug n ASN 73 Cb 0.36 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 38.77 3mug n ASN 73 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3mug h SER 74 N 0.00 0.00 -0.24 6.41 4.64 -1.95 -3.36 113.55 119.05 3mug h SER 74 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mug h SER 74 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3mug h SER 74 CO 0.00 0.52 0.00 0.29 -0.87 0.00 0.00 176.83 176.77 3mug n LYS 75 N -2.97 2.03 -3.49 4.77 4.01 -0.51 -5.01 118.16 116.99 3mug n LYS 75 Ca -0.06 -1.77 -0.26 0.00 -0.51 0.00 0.00 58.31 55.72 3mug n LYS 75 Cb 0.79 -1.27 0.02 0.00 -0.51 0.00 0.00 35.03 34.06 3mug n LYS 75 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 3mug n ASN 76 N 0.64 -4.94 -4.29 4.39 4.13 -0.53 -4.87 115.26 109.78 3mug n ASN 76 Ca 0.11 -0.51 -0.29 0.00 1.68 0.00 0.00 54.58 55.57 3mug n ASN 76 Cb 0.39 -3.99 -0.15 0.00 -1.54 0.00 0.00 39.78 34.49 3mug n ASN 76 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3mug s THR 77 N -3.15 1.93 -0.06 3.41 2.01 -1.13 -0.69 115.64 117.96 3mug s THR 77 Ca 0.49 -1.20 0.04 0.00 0.31 0.00 0.00 61.69 61.32 3mug s THR 77 Cb -0.24 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 3mug s THR 77 CO 0.60 0.40 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.55 3mug s LEU 78 N -0.96 2.63 0.21 4.42 2.96 0.17 -0.89 118.68 127.22 3mug s LEU 78 Ca 0.10 -0.26 0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3mug s LEU 78 Cb -0.09 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 3mug s LEU 78 CO 0.01 0.31 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.88 3mug s TYR 79 N -0.54 1.84 -0.10 5.38 2.02 0.55 -0.85 117.35 125.65 3mug s TYR 79 Ca 0.07 -0.51 -0.03 0.00 -0.37 0.00 0.00 57.07 56.23 3mug s TYR 79 Cb -0.11 -0.85 0.05 0.00 -0.40 0.00 0.00 41.96 40.65 3mug s TYR 79 CO 0.01 0.43 0.11 -1.17 -1.57 0.00 0.00 175.55 173.36 3mug s LEU 80 N -3.27 0.13 -0.19 -1.29 2.96 -0.78 -2.59 118.68 113.65 3mug s LEU 80 Ca 0.23 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3mug s LEU 80 Cb -0.02 -0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.61 3mug s LEU 80 CO 0.08 -0.28 0.02 -1.58 -1.32 0.00 0.00 176.35 173.27 3mug s GLN 81 N 2.20 3.79 0.17 1.98 2.00 0.39 -0.42 119.66 129.77 3mug s GLN 81 Ca 0.04 -0.44 0.02 0.00 -2.00 0.00 0.00 55.36 52.98 3mug s GLN 81 Cb -0.13 -3.12 0.02 0.00 0.80 0.00 0.00 33.01 30.58 3mug s GLN 81 CO -0.06 0.16 0.21 1.19 -0.50 0.00 0.00 175.29 176.28 3mug n PHE 82 N 3.84 -2.28 0.00 1.67 3.72 0.16 -0.97 117.46 123.60 3mug n PHE 82 Ca -0.17 -0.67 0.00 0.00 -0.05 0.00 0.00 57.45 56.56 3mug n PHE 82 Cb 0.52 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 3mug n PHE 82 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3mug n SER 82 N -2.52 0.00 -4.76 4.37 2.88 -1.09 -1.83 113.62 110.66 3mug n SER 82 Ca 0.03 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.21 3mug n SER 82 Cb 0.19 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.67 3mug n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3mug s LEU 82 N 0.00 3.72 0.09 2.46 1.43 0.35 -4.65 118.68 122.08 3mug s LEU 82 Ca 0.00 2.35 0.09 0.00 -1.03 0.00 0.00 54.13 55.54 3mug s LEU 82 Cb 0.00 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 3mug s LEU 82 CO 0.00 -1.45 -0.24 -1.59 0.23 0.00 0.00 176.35 173.30 3mug s LYS 83 N -3.26 1.40 0.57 1.70 0.00 -1.26 0.83 119.74 119.72 3mug s LYS 83 Ca 0.75 -1.16 0.30 0.00 0.00 0.00 0.00 55.97 55.86 3mug s LYS 83 Cb -0.29 -1.69 1.46 0.00 0.00 0.00 0.00 37.83 37.30 3mug s LYS 83 CO 0.32 0.41 1.87 -0.39 0.00 0.00 0.00 175.35 177.56 3mug h VAL 84 N 4.11 0.43 0.00 1.79 -1.51 -1.82 0.21 116.25 119.46 3mug h VAL 84 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.00 3mug h VAL 84 Cb 1.16 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.88 3mug h VAL 84 CO 0.41 0.00 0.00 -0.62 -1.23 0.00 0.00 177.57 176.13 3mug n GLU 85 N -3.94 0.04 0.00 5.19 4.71 -1.25 -3.48 120.64 121.91 3mug n GLU 85 Ca 0.14 0.07 0.14 0.00 -0.01 0.00 0.00 57.16 57.49 3mug n GLU 85 Cb 0.84 -1.55 0.69 0.00 -1.01 0.00 0.00 31.44 30.41 3mug n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3mug n ASP 86 N -1.61 0.00 -4.62 1.62 8.00 0.74 -4.85 116.55 115.83 3mug n ASP 86 Ca 0.06 -0.03 -0.47 0.00 0.71 0.00 0.00 54.79 55.07 3mug n ASP 86 Cb 0.33 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 41.06 3mug n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3mug n THR 87 N -1.32 0.47 -3.70 -3.53 -1.04 -1.23 -4.89 114.28 99.06 3mug n THR 87 Ca 0.12 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 3mug n THR 87 Cb 0.24 -2.03 -0.00 0.00 -1.82 0.00 0.00 70.33 66.71 3mug n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mug s ALA 88 N 5.71 -2.11 -0.14 2.41 0.00 -0.65 -4.49 121.76 122.49 3mug s ALA 88 Ca 0.98 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 53.23 3mug s ALA 88 Cb -0.62 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3mug s ALA 88 CO 0.47 -1.06 0.40 1.41 0.00 0.00 0.00 175.76 176.98 3mug s MET 89 N -2.53 4.31 -0.30 0.00 -2.45 -0.84 -0.58 119.30 116.91 3mug s MET 89 Ca 0.16 0.31 -0.10 0.00 -1.25 0.00 0.00 55.69 54.81 3mug s MET 89 Cb 0.03 -3.43 -0.01 0.00 1.25 0.00 0.00 34.83 32.66 3mug s MET 89 CO -0.02 0.18 0.15 -0.06 1.05 0.00 0.00 175.02 176.32 3mug s PHE 90 N 0.58 3.17 -0.09 4.11 0.40 0.64 -0.57 117.98 126.22 3mug s PHE 90 Ca 0.22 -0.48 -0.04 0.00 -0.60 0.00 0.00 56.93 56.02 3mug s PHE 90 Cb -0.14 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 3mug s PHE 90 CO 0.08 -0.42 0.08 -0.06 0.70 0.00 0.00 175.22 175.60 3mug s PHE 91 N 1.63 3.40 -0.26 0.36 0.40 0.19 -1.53 117.98 122.17 3mug s PHE 91 Ca 0.05 0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 56.64 3mug s PHE 91 Cb -0.17 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.46 3mug s PHE 91 CO 0.06 0.62 0.16 0.00 0.70 0.00 0.00 175.22 176.76 3mug s ALA 93 N 1.42 1.05 -0.01 0.00 0.00 -0.85 -1.11 121.76 122.26 3mug s ALA 93 Ca 0.07 -0.65 -0.20 0.00 0.00 0.00 0.00 51.96 51.19 3mug s ALA 93 Cb -0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3mug s ALA 93 CO 0.07 0.23 0.56 0.50 0.00 0.00 0.00 175.76 177.12 3mug s ARG 94 N -0.66 4.28 -0.21 0.00 3.52 0.27 -0.22 118.95 125.93 3mug s ARG 94 Ca 0.03 0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 56.01 3mug s ARG 94 Cb -0.06 -3.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.00 3mug s ARG 94 CO 0.00 0.39 1.03 -2.00 -0.81 0.00 0.00 175.30 173.91 3mug s GLU 95 N -0.22 4.29 0.40 5.12 2.56 0.04 -2.16 118.70 128.73 3mug s GLU 95 Ca 0.30 1.37 -0.27 0.00 0.00 0.00 0.00 54.97 56.36 3mug s GLU 95 Cb -0.18 -3.62 -0.10 0.00 2.00 0.00 0.00 34.13 32.24 3mug s GLU 95 CO 0.16 -0.57 1.41 0.00 -0.56 0.00 0.00 175.26 175.70 3mug s ALA 96 N 2.97 3.40 0.20 6.30 0.00 0.26 -4.19 121.76 130.70 3mug s ALA 96 Ca 0.45 1.43 -0.23 0.00 0.00 0.00 0.00 51.96 53.61 3mug s ALA 96 Cb -0.16 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.45 3mug s ALA 96 CO 0.08 -1.00 0.84 0.20 0.00 0.00 0.00 175.76 175.88 3mug s GLY 97 N -0.42 -0.21 0.00 0.00 0.00 -1.26 -0.44 107.32 104.99 3mug s GLY 97 Ca 0.56 0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.30 3mug s GLY 97 CO 0.57 -0.01 0.00 0.61 0.00 0.00 0.00 173.10 174.27 3mug n GLY 98 N -0.45 -0.60 3.83 0.20 0.00 -0.67 -4.93 105.19 102.57 3mug n GLY 98 Ca -0.06 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 3mug n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mug s PRO 99 N -1.65 2.98 -0.14 1.61 0.04 -1.26 -0.53 135.00 136.05 3mug s PRO 99 Ca 0.00 0.86 -0.14 0.00 0.04 0.00 0.00 61.00 61.77 3mug s PRO 99 Cb 0.00 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 3mug s PRO 99 CO 0.00 -1.04 0.30 0.42 0.04 0.00 0.00 177.00 176.72 3mug s ILE 100 N -3.09 5.29 -0.12 0.56 -1.09 0.44 -4.81 121.20 118.37 3mug s ILE 100 Ca 0.58 0.57 -0.14 0.00 -2.23 0.00 0.00 60.65 59.42 3mug s ILE 100 Cb -0.13 -3.63 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 3mug s ILE 100 CO 0.55 0.42 0.33 0.26 -1.23 0.00 0.00 174.94 175.26 3mug s TRP 100 N 0.23 3.53 -0.33 3.97 0.52 -1.26 0.51 118.94 126.11 3mug s TRP 100 Ca 0.17 0.71 0.15 0.00 0.02 0.00 0.00 56.10 57.16 3mug s TRP 100 Cb -0.13 -2.32 0.44 0.00 -1.15 0.00 0.00 33.47 30.30 3mug s TRP 100 CO 0.05 0.35 1.24 1.58 0.02 0.00 0.00 176.95 180.19 3mug n HIS 100 N 3.10 -0.59 0.00 -1.98 -0.00 -1.26 -4.93 115.22 109.56 3mug n HIS 100 Ca -0.12 -2.16 0.00 0.00 0.46 0.00 0.00 57.72 55.89 3mug n HIS 100 Cb 0.52 0.66 0.00 0.00 -0.12 0.00 0.00 29.99 31.05 3mug n HIS 100 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 3mug n ASP 100 N -0.66 0.00 -3.75 0.26 10.43 -1.26 -4.80 116.55 116.77 3mug n ASP 100 Ca -0.01 0.00 -0.16 0.00 2.57 0.00 0.00 54.79 57.19 3mug n ASP 100 Cb 0.84 0.00 -0.16 0.00 1.84 0.00 0.00 41.12 43.64 3mug n ASP 100 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3mug s VAL 100 N 0.00 -0.07 0.31 2.53 1.01 -1.26 -5.15 120.40 117.77 3mug s VAL 100 Ca 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.98 3mug s VAL 100 Cb 0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 36.38 36.18 3mug s VAL 100 CO 0.00 0.10 0.92 -0.54 0.00 0.00 0.00 175.10 175.58 3mug s LYS 100 N 1.26 4.53 0.33 2.72 1.02 -1.26 -4.19 119.74 124.15 3mug s LYS 100 Ca -0.07 1.26 0.03 0.00 0.02 0.00 0.00 55.97 57.22 3mug s LYS 100 Cb -0.13 -2.78 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 3mug s LYS 100 CO -0.03 0.28 0.13 0.71 -0.92 0.00 0.00 175.35 175.52 3mug s TYR 100 N -1.63 1.70 0.11 3.18 1.51 0.18 -4.93 117.35 117.48 3mug s TYR 100 Ca 0.50 -1.26 0.06 0.00 -1.01 0.00 0.00 57.07 55.36 3mug s TYR 100 Cb -0.18 -1.01 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 3mug s TYR 100 CO 0.23 -0.36 -0.05 0.34 -1.11 0.00 0.00 175.55 174.60 3mug s ASP 100 N -3.45 4.66 -0.31 2.29 -1.08 0.12 -0.42 116.67 118.48 3mug s ASP 100 Ca 0.33 -0.32 -0.44 0.00 -0.52 0.00 0.00 52.55 51.60 3mug s ASP 100 Cb 0.05 -0.98 -0.20 0.00 -1.46 0.00 0.00 42.92 40.33 3mug s ASP 100 CO 0.16 0.16 1.42 0.49 0.52 0.00 0.00 175.17 177.92 3mug n PHE 100 N 0.52 1.39 -2.50 -5.34 3.72 -1.26 -0.12 117.46 113.87 3mug n PHE 100 Ca -0.12 1.08 -0.08 0.00 -0.05 0.00 0.00 57.45 58.29 3mug n PHE 100 Cb 0.53 -2.19 0.01 0.00 -0.94 0.00 0.00 39.48 36.88 3mug n PHE 100 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3mug n ASN 100 N 3.18 -3.16 -3.49 4.37 3.02 -1.26 -4.41 115.26 113.51 3mug n ASN 100 Ca 0.27 -0.10 -0.23 0.00 -0.03 0.00 0.00 54.58 54.49 3mug n ASN 100 Cb -0.00 -2.11 0.05 0.00 -0.61 0.00 0.00 39.78 37.11 3mug n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mug n ASP 100 N 0.24 -5.26 0.00 6.41 8.00 0.83 -5.28 116.55 121.49 3mug n ASP 100 Ca -0.05 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.60 3mug n ASP 100 Cb 0.55 -4.29 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 3mug n ASP 100 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mug n GLY 100 N -1.46 1.69 3.08 0.44 0.00 -0.34 -4.83 105.19 103.77 3mug n GLY 100 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 3mug n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mug s TYR 100 N 3.21 0.08 0.30 1.61 2.02 0.31 0.11 117.35 124.99 3mug s TYR 100 Ca 0.00 -0.20 -0.28 0.00 -0.37 0.00 0.00 57.07 56.21 3mug s TYR 100 Cb 0.00 -0.08 -0.09 0.00 -0.40 0.00 0.00 41.96 41.39 3mug s TYR 100 CO 0.00 -0.26 1.06 -0.80 -1.57 0.00 0.00 175.55 173.98 3mug s ASN 100 N -1.36 7.23 0.00 2.29 0.01 -1.26 -1.68 114.94 120.18 3mug s ASN 100 Ca -0.15 2.17 0.24 0.00 -0.71 0.00 0.00 52.86 54.42 3mug s ASN 100 Cb -0.08 -2.62 0.15 0.00 0.41 0.00 0.00 41.25 39.11 3mug s ASN 100 CO 0.01 -0.16 1.21 -1.22 -1.51 0.00 0.00 177.10 175.43 3mug n TYR 100 N 1.00 0.00 -3.31 2.20 4.01 0.42 -4.95 117.16 116.53 3mug n TYR 100 Ca -0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 3mug n TYR 100 Cb 0.46 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.55 3mug n TYR 100 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3mug n HIS 100 N 0.50 -2.16 -3.49 -0.72 8.25 -1.26 -5.00 115.22 111.34 3mug n HIS 100 Ca 0.12 0.79 -0.16 0.00 -0.26 0.00 0.00 57.72 58.21 3mug n HIS 100 Cb 0.51 -4.27 -0.05 0.00 1.12 0.00 0.00 29.99 27.30 3mug n HIS 100 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3mug s TYR 100 N -3.26 -0.62 -0.42 4.41 -0.85 -1.26 -5.06 117.35 110.28 3mug s TYR 100 Ca 0.35 0.90 -0.13 0.00 -0.52 0.00 0.00 57.07 57.67 3mug s TYR 100 Cb -0.15 0.45 0.05 0.00 0.38 0.00 0.00 41.96 42.69 3mug s TYR 100 CO 0.58 -0.67 0.30 -1.64 -1.52 0.00 0.00 175.55 172.60 3mug s MET 100 N -1.91 2.87 0.12 -3.49 -1.94 -1.26 -0.57 119.30 113.12 3mug s MET 100 Ca -0.07 -1.23 0.20 0.00 -1.71 0.00 0.00 55.69 52.88 3mug s MET 100 Cb -0.00 -3.93 -0.09 0.00 2.01 0.00 0.00 34.83 32.82 3mug s MET 100 CO 0.03 -0.87 0.89 -0.40 -0.01 0.00 0.00 175.02 174.67 3mug n ASP 101 N 5.09 0.79 -4.05 3.03 5.75 -0.92 -4.89 116.55 121.36 3mug n ASP 101 Ca -0.11 0.33 -0.23 0.00 -0.01 0.00 0.00 54.79 54.76 3mug n ASP 101 Cb 0.45 0.42 -0.16 0.00 -1.03 0.00 0.00 41.12 40.80 3mug n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3mug s VAL 102 N -3.16 1.08 0.05 2.12 1.01 -1.26 -5.01 120.40 115.24 3mug s VAL 102 Ca -0.02 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.50 3mug s VAL 102 Cb 0.09 -0.96 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3mug s VAL 102 CO 0.81 0.33 -0.14 0.26 0.00 0.00 0.00 175.10 176.36 3mug s TRP 103 N 0.28 1.20 0.66 5.22 0.52 -1.26 -0.56 118.94 124.99 3mug s TRP 103 Ca -0.06 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.66 3mug s TRP 103 Cb -0.12 -0.70 0.09 0.00 -1.15 0.00 0.00 33.47 31.60 3mug s TRP 103 CO 0.02 0.04 0.92 0.20 0.02 0.00 0.00 176.95 178.15 3mug s GLY 104 N -1.38 1.78 0.08 0.98 0.00 -0.27 -4.57 107.32 103.94 3mug s GLY 104 Ca -0.00 -1.55 0.26 0.00 0.00 0.00 0.00 44.72 43.43 3mug s GLY 104 CO 0.02 -1.09 1.82 0.28 0.00 0.00 0.00 173.10 174.13 3mug n LYS 105 N -2.68 0.10 0.00 2.90 5.02 -1.26 -4.76 118.16 117.48 3mug n LYS 105 Ca 0.12 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3mug n LYS 105 Cb 0.60 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3mug n LYS 105 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mug n GLY 106 N 1.20 -0.77 3.08 0.72 0.00 -1.26 -5.03 105.19 103.13 3mug n GLY 106 Ca 0.06 -1.51 -0.27 0.00 0.00 0.00 0.00 46.02 44.29 3mug n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mug s THR 107 N -3.16 1.46 -0.12 2.61 -1.32 -0.58 -4.82 115.64 109.71 3mug s THR 107 Ca 0.00 -0.65 -0.18 0.00 -1.21 0.00 0.00 61.69 59.64 3mug s THR 107 Cb 0.00 -1.31 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 3mug s THR 107 CO 0.00 0.43 0.49 0.28 -2.21 0.00 0.00 174.62 173.60 3mug s THR 108 N 0.69 5.18 -0.26 5.08 -1.32 -1.26 -0.26 115.64 123.49 3mug s THR 108 Ca -0.13 0.97 -0.04 0.00 -1.21 0.00 0.00 61.69 61.27 3mug s THR 108 Cb -0.16 -3.82 0.01 0.00 -1.51 0.00 0.00 72.50 67.01 3mug s THR 108 CO 0.03 0.31 0.00 -0.69 -2.21 0.00 0.00 174.62 172.07 3mug s VAL 109 N 0.69 3.49 -0.35 5.08 1.01 0.26 -1.01 120.40 129.57 3mug s VAL 109 Ca 0.26 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 3mug s VAL 109 Cb -0.15 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.56 3mug s VAL 109 CO 0.10 0.23 0.12 -0.89 0.00 0.00 0.00 175.10 174.66 3mug s THR 110 N 1.45 3.72 -0.38 3.92 2.01 0.07 -1.63 115.64 124.80 3mug s THR 110 Ca 0.03 -1.24 -0.16 0.00 0.31 0.00 0.00 61.69 60.63 3mug s THR 110 Cb -0.16 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3mug s THR 110 CO -0.01 -0.24 0.38 -0.69 -0.69 0.00 0.00 174.62 173.37 3mug s VAL 111 N 1.37 5.15 -0.14 3.82 1.01 -1.26 -0.24 120.40 130.12 3mug s VAL 111 Ca -0.01 -0.18 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 3mug s VAL 111 Cb -0.20 -3.92 0.06 0.00 0.00 0.00 0.00 36.38 32.33 3mug s VAL 111 CO 0.02 -0.24 0.65 -0.55 0.00 0.00 0.00 175.10 174.98 3mug s SER 112 N 1.76 -0.65 0.10 3.32 0.15 -0.00 -4.62 113.70 113.76 3mug s SER 112 Ca 0.11 0.96 0.10 0.00 0.70 0.00 0.00 55.95 57.82 3mug s SER 112 Cb -0.17 0.90 -0.17 0.00 -1.71 0.00 0.00 66.02 64.87 3mug s SER 112 CO 0.12 -0.43 1.13 0.77 1.20 0.00 0.00 173.24 176.03 3mug h SER 113 N 3.99 0.00 -3.19 5.45 4.64 -1.93 -3.34 113.55 119.18 3mug h SER 113 Ca -0.28 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.66 3mug h SER 113 Cb 1.15 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3mug h SER 113 CO 0.25 0.90 -0.51 0.00 -0.87 0.00 0.00 176.83 176.59 3mug n ALA 114 N -2.38 -0.67 -2.68 5.18 0.00 -1.26 -5.01 120.51 113.68 3mug n ALA 114 Ca -0.04 0.19 -0.40 0.00 0.00 0.00 0.00 53.44 53.19 3mug n ALA 114 Cb 0.93 -2.58 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 3mug n ALA 114 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mug s SER 115 N -2.33 6.84 0.18 0.00 0.15 -1.26 -5.01 113.70 112.28 3mug s SER 115 Ca 0.09 1.02 -0.32 0.00 0.70 0.00 0.00 55.95 57.44 3mug s SER 115 Cb -0.04 -2.39 -0.16 0.00 -1.71 0.00 0.00 66.02 61.73 3mug s SER 115 CO 0.11 -0.23 1.14 0.41 1.20 0.00 0.00 173.24 175.87 3mug n THR 116 N 4.33 1.01 -3.72 6.45 -1.04 -1.26 -4.77 114.28 115.28 3mug n THR 116 Ca -0.00 -0.25 -0.19 0.00 -2.04 0.00 0.00 64.05 61.56 3mug n THR 116 Cb 0.50 -0.84 -0.17 0.00 -1.82 0.00 0.00 70.33 67.99 3mug n THR 116 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3mug s LYS 117 N -0.50 0.04 0.65 -2.82 3.01 -1.26 -4.90 119.74 113.96 3mug s LYS 117 Ca 0.72 0.29 -0.14 0.00 -1.01 0.00 0.00 55.97 55.82 3mug s LYS 117 Cb -0.84 -0.52 -0.01 0.00 -1.01 0.00 0.00 37.83 35.45 3mug s LYS 117 CO 0.53 -0.28 1.08 0.20 0.51 0.00 0.00 175.35 177.39 3mug s GLY 118 N 1.85 2.03 0.72 -3.33 0.00 -1.26 -1.31 107.32 106.02 3mug s GLY 118 Ca 0.01 0.39 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 3mug s GLY 118 CO -0.03 0.72 1.11 2.56 0.00 0.00 0.00 173.10 177.46 3mug s PRO 119 N -4.29 2.72 -0.20 2.90 0.04 -1.26 -4.46 135.00 130.46 3mug s PRO 119 Ca 0.64 0.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.05 3mug s PRO 119 Cb -0.17 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 3mug s PRO 119 CO 0.43 -1.13 0.04 -1.12 0.04 0.00 0.00 177.00 175.26 3mug s SER 120 N -4.35 5.30 -0.22 6.66 0.01 0.66 -4.94 113.70 116.83 3mug s SER 120 Ca 0.59 -0.05 -0.05 0.00 1.31 0.00 0.00 55.95 57.74 3mug s SER 120 Cb -0.11 -1.91 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 3mug s SER 120 CO 0.52 0.11 0.01 -0.69 0.41 0.00 0.00 173.24 173.60 3mug s VAL 121 N 0.73 3.92 0.00 3.43 1.01 -1.26 0.10 120.40 128.33 3mug s VAL 121 Ca 0.02 -0.32 0.08 0.00 0.00 0.00 0.00 61.98 61.77 3mug s VAL 121 Cb -0.14 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 3mug s VAL 121 CO 0.02 0.40 -0.25 -0.36 0.00 0.00 0.00 175.10 174.91 3mug s PHE 122 N 1.28 2.24 0.28 5.22 0.08 0.50 -4.96 117.98 122.62 3mug s PHE 122 Ca 0.04 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.38 3mug s PHE 122 Cb -0.15 -1.41 -0.09 0.00 -0.57 0.00 0.00 43.02 40.80 3mug s PHE 122 CO 0.01 0.01 1.03 -1.25 -0.10 0.00 0.00 175.22 174.93 3mug s PRO 123 N -0.80 4.68 -0.79 0.24 0.04 -1.26 -0.23 135.00 136.88 3mug s PRO 123 Ca 0.10 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.70 3mug s PRO 123 Cb -0.10 -3.15 0.20 0.00 0.04 0.00 0.00 34.50 31.50 3mug s PRO 123 CO 0.00 0.30 0.69 -0.51 0.04 0.00 0.00 177.00 177.51 3mug s LEU 124 N -1.48 6.10 0.59 -3.56 1.43 -0.24 -4.82 118.68 116.69 3mug s LEU 124 Ca 0.45 -2.92 -0.18 0.00 -1.03 0.00 0.00 54.13 50.44 3mug s LEU 124 Cb -0.28 -2.06 -0.06 0.00 0.03 0.00 0.00 46.19 43.81 3mug s LEU 124 CO 0.36 -0.44 0.79 0.00 0.23 0.00 0.00 176.35 177.29 3mug n ALA 125 N 3.54 -0.36 -1.68 4.21 0.00 -1.26 -1.38 120.51 123.59 3mug n ALA 125 Ca 0.13 -0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.12 3mug n ALA 125 Cb 0.42 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.84 3mug n ALA 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3mug n PRO 126 N -0.62 2.28 -4.67 0.00 -0.04 -1.26 -4.78 135.00 125.91 3mug n PRO 126 Ca 0.13 0.82 -0.26 0.00 -0.04 0.00 0.00 63.50 64.15 3mug n PRO 126 Cb 0.47 -2.61 -0.17 0.00 -0.04 0.00 0.00 33.50 31.15 3mug n PRO 126 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3mug s SER 127 N 1.19 2.04 0.01 3.54 0.01 -0.81 -4.82 113.70 114.86 3mug s SER 127 Ca 0.79 -0.35 0.23 0.00 1.31 0.00 0.00 55.95 57.93 3mug s SER 127 Cb -0.64 -0.94 0.21 0.00 0.21 0.00 0.00 66.02 64.86 3mug s SER 127 CO 0.38 0.05 1.20 -1.54 0.41 0.00 0.00 173.24 173.74 3mug n SER 128 N 3.81 0.68 -0.35 2.44 3.41 -1.26 -2.22 113.62 120.14 3mug n SER 128 Ca -0.22 -0.48 0.11 0.00 -0.26 0.00 0.00 58.87 58.02 3mug n SER 128 Cb 0.52 0.55 0.29 0.00 -0.26 0.00 0.00 64.21 65.32 3mug n SER 128 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3mug h LYS 129 N 0.00 0.76 -0.08 4.33 6.56 -1.96 -3.11 116.57 123.07 3mug h LYS 129 Ca 0.00 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 3mug h LYS 129 Cb 0.53 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.02 3mug h LYS 129 CO 0.00 0.50 0.00 0.43 -2.06 0.00 0.00 179.45 178.32 3mug n SER 130 N -4.76 2.75 -4.80 0.86 7.64 -1.26 -5.03 113.62 109.02 3mug n SER 130 Ca 0.22 -1.84 -0.22 0.00 1.01 0.00 0.00 58.87 58.03 3mug n SER 130 Cb 0.51 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.62 3mug n SER 130 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3mug s THR 133 N -1.59 2.87 0.00 0.44 -4.23 -1.18 -5.10 115.64 106.86 3mug s THR 133 Ca 0.25 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 3mug s THR 133 Cb 0.17 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.98 3mug s THR 133 CO 0.25 -0.09 0.00 -1.20 -0.54 0.00 0.00 174.62 173.04 3mug n SER 134 N -1.32 0.00 0.00 3.99 7.64 -1.26 -4.91 113.62 117.76 3mug n SER 134 Ca -0.01 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.45 3mug n SER 134 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 3mug n SER 134 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mug n GLY 135 N 5.00 1.57 2.45 0.23 0.00 -1.26 -1.57 105.19 111.61 3mug n GLY 135 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3mug n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mug n GLY 136 N 0.00 2.86 3.75 -0.02 0.00 -1.26 -5.07 105.19 105.44 3mug n GLY 136 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3mug n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mug s THR 137 N -1.37 4.12 -0.00 2.61 -4.23 -0.61 -0.87 115.64 115.29 3mug s THR 137 Ca 0.00 -1.41 0.02 0.00 -1.18 0.00 0.00 61.69 59.12 3mug s THR 137 Cb 0.00 -3.15 -0.01 0.00 1.34 0.00 0.00 72.50 70.68 3mug s THR 137 CO 0.00 -0.23 -0.07 0.00 -0.54 0.00 0.00 174.62 173.77 3mug s ALA 138 N -1.97 0.59 -0.22 3.99 0.00 0.27 -4.70 121.76 119.73 3mug s ALA 138 Ca 0.31 -0.33 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 3mug s ALA 138 Cb -0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3mug s ALA 138 CO 0.22 0.14 0.10 0.00 0.00 0.00 0.00 175.76 176.23 3mug s ALA 139 N -0.22 3.44 0.12 0.00 0.00 -0.94 -1.07 121.76 123.10 3mug s ALA 139 Ca 0.02 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3mug s ALA 139 Cb -0.03 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 3mug s ALA 139 CO -0.00 -0.10 -0.11 -0.48 0.00 0.00 0.00 175.76 175.06 3mug s LEU 140 N 0.89 2.43 0.00 0.00 0.05 -0.51 -1.93 118.68 119.61 3mug s LEU 140 Ca 0.05 -0.86 0.00 0.00 0.05 0.00 0.00 54.13 53.38 3mug s LEU 140 Cb -0.13 -0.40 0.00 0.00 -2.05 0.00 0.00 46.19 43.60 3mug s LEU 140 CO 0.03 -0.24 0.00 0.61 -0.55 0.00 0.00 176.35 176.20 3mug n GLY 141 N 0.37 2.66 2.81 -3.48 0.00 -0.48 -0.49 105.19 106.59 3mug n GLY 141 Ca -0.14 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 3mug n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug s LEU 143 N 1.52 4.14 -0.74 0.00 2.96 0.69 -2.03 118.68 125.22 3mug s LEU 143 Ca -0.02 0.44 -0.08 0.00 -0.22 0.00 0.00 54.13 54.25 3mug s LEU 143 Cb -0.13 -2.79 0.19 0.00 0.50 0.00 0.00 46.19 43.96 3mug s LEU 143 CO -0.03 -0.45 0.61 -0.69 -1.32 0.00 0.00 176.35 174.47 3mug s VAL 144 N 2.56 4.67 0.15 1.68 1.01 0.33 -0.37 120.40 130.43 3mug s VAL 144 Ca 0.25 -2.77 -0.05 0.00 0.00 0.00 0.00 61.98 59.41 3mug s VAL 144 Cb -0.15 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 3mug s VAL 144 CO 0.11 -0.96 0.38 -0.54 0.00 0.00 0.00 175.10 174.09 3mug s LYS 145 N -0.02 3.61 -0.97 2.72 1.02 0.12 -1.16 119.74 125.05 3mug s LYS 145 Ca 0.18 -0.10 -0.13 0.00 0.02 0.00 0.00 55.97 55.94 3mug s LYS 145 Cb -0.15 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3mug s LYS 145 CO -0.06 0.46 0.67 -0.25 -0.92 0.00 0.00 175.35 175.24 3mug n ASP 146 N 0.02 -5.09 -4.48 2.83 8.00 -0.77 -0.24 116.55 116.81 3mug n ASP 146 Ca -0.02 -0.96 -0.28 0.00 0.71 0.00 0.00 54.79 54.23 3mug n ASP 146 Cb 0.52 -2.39 -0.11 0.00 -0.02 0.00 0.00 41.12 39.11 3mug n ASP 146 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mug s TYR 147 N -3.22 2.48 0.00 1.24 -0.85 0.26 -4.43 117.35 112.83 3mug s TYR 147 Ca 0.22 -0.29 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 3mug s TYR 147 Cb -0.10 -1.27 0.00 0.00 0.38 0.00 0.00 41.96 40.97 3mug s TYR 147 CO 0.89 0.44 0.00 0.34 -1.52 0.00 0.00 175.55 175.71 3mug n PHE 148 N 0.47 0.00 -1.92 -3.49 7.35 -0.43 -0.61 117.46 118.83 3mug n PHE 148 Ca -0.14 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.13 3mug n PHE 148 Cb 0.54 -0.01 -0.03 0.00 0.35 0.00 0.00 39.48 40.33 3mug n PHE 148 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3mug s PRO 149 N -0.28 4.20 0.35 -7.13 0.02 -1.26 -4.69 135.00 126.22 3mug s PRO 149 Ca 0.00 2.37 0.17 0.00 0.02 0.00 0.00 61.00 63.56 3mug s PRO 149 Cb 0.00 -3.28 1.20 0.00 0.02 0.00 0.00 34.50 32.44 3mug s PRO 149 CO 0.00 -0.65 1.63 0.93 -0.33 0.00 0.00 177.00 178.58 3mug h GLU 150 N 7.25 0.19 -5.95 5.54 4.39 -2.00 -3.42 114.58 120.57 3mug h GLU 150 Ca -0.43 -0.01 -0.50 0.00 0.34 0.00 0.00 59.36 58.76 3mug h GLU 150 Cb 1.20 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.78 3mug h GLU 150 CO 0.92 0.13 1.39 -1.25 -1.16 0.00 0.00 179.01 179.04 3mug s PRO 151 N -5.60 2.62 -0.10 2.33 0.04 -1.26 -4.93 135.00 128.09 3mug s PRO 151 Ca -0.10 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.80 3mug s PRO 151 Cb 0.32 -4.40 -0.01 0.00 0.04 0.00 0.00 34.50 30.44 3mug s PRO 151 CO 0.79 -2.72 -0.16 0.08 0.04 0.00 0.00 177.00 175.02 3mug s VAL 152 N 9.34 2.81 -0.12 -0.36 1.01 -1.26 -4.18 120.40 127.64 3mug s VAL 152 Ca 0.73 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3mug s VAL 152 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3mug s VAL 152 CO 0.23 0.55 -0.14 -0.89 0.00 0.00 0.00 175.10 174.84 3mug s THR 153 N 0.05 2.93 -0.11 3.92 2.01 0.19 -4.97 115.64 119.66 3mug s THR 153 Ca -0.06 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.26 3mug s THR 153 Cb -0.15 -2.22 0.01 0.00 0.01 0.00 0.00 72.50 70.16 3mug s THR 153 CO 0.05 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.63 3mug s VAL 154 N 0.31 1.76 0.26 3.82 1.01 -1.26 -0.06 120.40 126.24 3mug s VAL 154 Ca -0.11 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.13 3mug s VAL 154 Cb -0.16 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3mug s VAL 154 CO 0.06 0.49 -0.09 -0.94 0.00 0.00 0.00 175.10 174.62 3mug s SER 156 N 0.75 2.79 -0.07 3.32 1.04 -0.23 -4.96 113.70 116.33 3mug s SER 156 Ca -0.11 -1.13 0.03 0.00 0.48 0.00 0.00 55.95 55.22 3mug s SER 156 Cb -0.16 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.80 3mug s SER 156 CO 0.01 -0.26 -0.15 0.26 0.98 0.00 0.00 173.24 174.09 3mug s TRP 157 N -2.96 1.64 -1.50 5.02 0.52 -1.26 -0.23 118.94 120.17 3mug s TRP 157 Ca 0.27 -0.59 -0.12 0.00 0.02 0.00 0.00 56.10 55.68 3mug s TRP 157 Cb 0.02 -1.16 0.07 0.00 -1.15 0.00 0.00 33.47 31.25 3mug s TRP 157 CO 0.11 -0.27 0.96 0.09 0.02 0.00 0.00 176.95 177.86 3mug n ASN 162 N 3.64 -4.48 -1.42 2.95 4.13 0.21 -1.84 115.26 118.45 3mug n ASN 162 Ca -0.21 -0.77 -0.16 0.00 1.68 0.00 0.00 54.58 55.12 3mug n ASN 162 Cb 0.52 -3.97 -0.05 0.00 -1.54 0.00 0.00 39.78 34.75 3mug n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3mug n SER 163 N -2.87 -4.83 0.00 6.41 7.64 -1.26 -2.51 113.62 116.19 3mug n SER 163 Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 3mug n SER 163 Cb 0.55 -3.81 0.00 0.00 -1.01 0.00 0.00 64.21 59.94 3mug n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mug n GLY 164 N -1.03 1.25 0.25 0.23 0.00 -0.77 -4.96 105.19 100.17 3mug n GLY 164 Ca -0.17 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.02 3mug n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mug h ALA 165 N 0.00 1.00 -3.14 4.61 0.00 -1.47 -3.39 119.26 116.87 3mug h ALA 165 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 3mug h ALA 165 Cb 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.46 3mug h ALA 165 CO 0.00 0.00 -0.80 -1.17 0.00 0.00 0.00 179.25 177.28 3mug s LEU 166 N -5.63 2.63 0.00 0.00 0.20 -0.93 -4.94 118.68 110.01 3mug s LEU 166 Ca -0.01 -0.68 0.00 0.00 0.69 0.00 0.00 54.13 54.14 3mug s LEU 166 Cb 0.10 -1.59 0.00 0.00 -0.43 0.00 0.00 46.19 44.27 3mug s LEU 166 CO 0.43 -0.04 0.00 0.35 -0.29 0.00 0.00 176.35 176.80 3mug n THR 167 N 4.66 0.00 -2.64 3.68 -2.24 -1.26 -4.11 114.28 112.37 3mug n THR 167 Ca -0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 3mug n THR 167 Cb 0.49 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.44 3mug n THR 167 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3mug s SER 168 N -1.54 7.01 0.00 3.42 0.01 -1.26 -3.21 113.70 118.13 3mug s SER 168 Ca 0.00 1.23 0.00 0.00 1.31 0.00 0.00 55.95 58.49 3mug s SER 168 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 3mug s SER 168 CO 0.00 -0.78 0.00 0.61 0.41 0.00 0.00 173.24 173.48 3mug n GLY 169 N 3.60 0.62 3.68 3.44 0.00 -1.26 -4.72 105.19 110.55 3mug n GLY 169 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3mug n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mug s VAL 171 N -2.43 4.38 -0.24 1.61 1.01 -1.20 -2.93 120.40 120.60 3mug s VAL 171 Ca 0.00 1.68 -0.01 0.00 0.00 0.00 0.00 61.98 63.65 3mug s VAL 171 Cb 0.00 -4.08 0.07 0.00 0.00 0.00 0.00 36.38 32.37 3mug s VAL 171 CO 0.00 -0.04 0.02 -1.00 0.00 0.00 0.00 175.10 174.09 3mug s HIS 172 N 2.46 1.64 -0.33 5.22 3.76 0.16 -5.00 115.29 123.21 3mug s HIS 172 Ca 0.54 -1.37 -0.12 0.00 -0.15 0.00 0.00 55.06 53.95 3mug s HIS 172 Cb -0.22 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.06 3mug s HIS 172 CO 0.19 -0.73 0.21 0.99 -0.85 0.00 0.00 174.74 174.55 3mug s THR 173 N 1.65 5.10 0.41 1.30 2.01 -1.26 -0.19 115.64 124.65 3mug s THR 173 Ca 0.00 -0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.55 3mug s THR 173 Cb -0.18 -3.59 -0.11 0.00 0.01 0.00 0.00 72.50 68.63 3mug s THR 173 CO -0.12 0.04 0.95 -0.36 -0.69 0.00 0.00 174.62 174.44 3mug s PHE 174 N 1.70 3.37 0.65 4.92 0.40 0.16 -5.00 117.98 124.18 3mug s PHE 174 Ca 0.06 1.64 -0.17 0.00 -0.60 0.00 0.00 56.93 57.85 3mug s PHE 174 Cb -0.17 -2.86 -0.00 0.00 0.51 0.00 0.00 43.02 40.49 3mug s PHE 174 CO 0.09 -0.06 1.24 -2.14 0.70 0.00 0.00 175.22 175.05 3mug s PRO 175 N -2.99 2.58 0.47 0.24 0.02 -1.26 -4.32 135.00 129.74 3mug s PRO 175 Ca 0.60 1.88 -0.22 0.00 0.02 0.00 0.00 61.00 63.28 3mug s PRO 175 Cb -0.11 -1.87 -0.07 0.00 0.02 0.00 0.00 34.50 32.47 3mug s PRO 175 CO 0.15 -1.53 1.14 0.00 -0.33 0.00 0.00 177.00 176.43 3mug s ALA 176 N -1.65 2.93 -0.12 -1.55 0.00 -1.26 -4.76 121.76 115.35 3mug s ALA 176 Ca 0.78 0.88 -0.16 0.00 0.00 0.00 0.00 51.96 53.46 3mug s ALA 176 Cb -0.32 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 3mug s ALA 176 CO 0.39 -0.63 0.39 0.54 0.00 0.00 0.00 175.76 176.46 3mug s VAL 177 N -1.61 5.22 -0.40 0.00 0.11 -0.60 -4.95 120.40 118.16 3mug s VAL 177 Ca 0.65 0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 60.28 3mug s VAL 177 Cb -0.27 -3.72 0.01 0.00 -1.53 0.00 0.00 36.38 30.87 3mug s VAL 177 CO 0.32 0.39 0.53 -0.22 -3.33 0.00 0.00 175.10 172.79 3mug s LEU 178 N 0.33 4.54 0.87 2.54 2.96 -1.26 -2.63 118.68 126.03 3mug s LEU 178 Ca 0.22 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.70 3mug s LEU 178 Cb -0.14 -2.58 0.12 0.00 0.50 0.00 0.00 46.19 44.09 3mug s LEU 178 CO 0.08 -0.60 1.18 -1.10 -1.32 0.00 0.00 176.35 174.58 3mug s GLN 179 N 2.46 1.44 0.47 1.98 -0.21 -0.35 -4.97 119.66 120.48 3mug s GLN 179 Ca 0.18 0.12 0.13 0.00 0.02 0.00 0.00 55.36 55.81 3mug s GLN 179 Cb -0.15 -1.89 1.09 0.00 1.00 0.00 0.00 33.01 33.05 3mug s GLN 179 CO 0.15 -1.96 2.09 0.66 -2.12 0.00 0.00 175.29 174.11 3mug h SER 180 N -1.32 0.23 0.73 5.90 4.64 -1.92 -2.47 113.55 119.34 3mug h SER 180 Ca -0.48 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3mug h SER 180 Cb 1.32 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3mug h SER 180 CO 0.61 0.16 -0.03 0.77 -0.87 0.00 0.00 176.83 177.47 3mug h SER 182 N 0.27 0.00 0.00 4.97 4.64 -1.93 -3.31 113.55 118.18 3mug h SER 182 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3mug h SER 182 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3mug h SER 182 CO -0.02 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3mug n GLY 183 N -0.26 0.44 3.90 -0.77 0.00 -0.93 -4.95 105.19 102.62 3mug n GLY 183 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3mug n GLY 183 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mug s LEU 184 N 0.00 4.16 0.08 0.99 1.43 -1.26 -4.86 118.68 119.21 3mug s LEU 184 Ca 0.00 0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 3mug s LEU 184 Cb 0.00 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 3mug s LEU 184 CO 0.00 0.02 0.31 -0.31 0.23 0.00 0.00 176.35 176.59 3mug s TYR 185 N -1.85 3.53 -0.12 0.29 2.02 0.22 -1.21 117.35 120.23 3mug s TYR 185 Ca 0.33 0.52 -0.06 0.00 -0.37 0.00 0.00 57.07 57.50 3mug s TYR 185 Cb -0.10 -1.96 0.05 0.00 -0.40 0.00 0.00 41.96 39.55 3mug s TYR 185 CO 0.27 0.53 0.27 -1.12 -1.57 0.00 0.00 175.55 173.93 3mug s SER 186 N -2.15 -0.17 0.09 2.29 0.01 -1.08 -0.57 113.70 112.12 3mug s SER 186 Ca 0.35 0.58 0.02 0.00 1.31 0.00 0.00 55.95 58.20 3mug s SER 186 Cb -0.13 0.51 -0.04 0.00 0.21 0.00 0.00 66.02 66.57 3mug s SER 186 CO 0.22 -0.18 -0.07 -0.22 0.41 0.00 0.00 173.24 173.40 3mug s LEU 187 N 1.51 2.47 0.01 2.44 0.20 -0.31 -1.56 118.68 123.44 3mug s LEU 187 Ca -0.07 -0.94 0.04 0.00 0.69 0.00 0.00 54.13 53.85 3mug s LEU 187 Cb -0.11 -0.07 -0.01 0.00 -0.43 0.00 0.00 46.19 45.57 3mug s LEU 187 CO -0.09 -0.44 -0.13 -0.44 -0.29 0.00 0.00 176.35 174.97 3mug s SER 188 N -2.83 1.49 -0.09 3.68 0.01 -1.26 -0.51 113.70 114.18 3mug s SER 188 Ca 0.09 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.05 3mug s SER 188 Cb 0.03 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.15 3mug s SER 188 CO -0.04 0.10 -0.09 -0.55 0.41 0.00 0.00 173.24 173.07 3mug s SER 189 N -0.59 2.00 0.17 2.44 0.15 -0.86 -0.67 113.70 116.35 3mug s SER 189 Ca 0.03 -0.30 0.10 0.00 0.70 0.00 0.00 55.95 56.49 3mug s SER 189 Cb -0.06 -0.83 -0.04 0.00 -1.71 0.00 0.00 66.02 63.38 3mug s SER 189 CO 0.00 -0.06 -0.23 0.68 1.20 0.00 0.00 173.24 174.84 3mug s VAL 190 N 1.27 2.16 -0.00 4.45 -7.23 0.74 -0.83 120.40 120.96 3mug s VAL 190 Ca -0.03 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 3mug s VAL 190 Cb -0.14 -2.00 -0.00 0.00 0.56 0.00 0.00 36.38 34.80 3mug s VAL 190 CO -0.03 -0.15 -0.02 0.54 -0.31 0.00 0.00 175.10 175.12 3mug s VAL 191 N -1.68 0.19 -0.25 1.32 0.11 0.36 0.36 120.40 120.81 3mug s VAL 191 Ca 0.18 -0.14 -0.08 0.00 -2.93 0.00 0.00 61.98 59.01 3mug s VAL 191 Cb -0.08 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 3mug s VAL 191 CO 0.08 0.03 0.10 0.42 -3.33 0.00 0.00 175.10 172.41 3mug s THR 192 N -0.11 4.65 0.18 5.04 -4.23 -1.15 -1.43 115.64 118.59 3mug s THR 192 Ca 0.00 -0.06 0.07 0.00 -1.18 0.00 0.00 61.69 60.53 3mug s THR 192 Cb -0.01 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 3mug s THR 192 CO -0.00 0.33 -0.15 0.68 -0.54 0.00 0.00 174.62 174.94 3mug s VAL 193 N 1.47 1.66 0.25 2.29 -7.23 -0.23 -4.69 120.40 113.93 3mug s VAL 193 Ca 0.06 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 3mug s VAL 193 Cb -0.15 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.79 3mug s VAL 193 CO 0.05 -0.51 1.25 -2.16 -0.31 0.00 0.00 175.10 173.42 3mug s PRO 194 N -3.30 4.45 0.59 4.82 0.04 -1.26 -0.56 135.00 139.77 3mug s PRO 194 Ca 0.18 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.54 3mug s PRO 194 Cb -0.02 -3.17 1.73 0.00 0.04 0.00 0.00 34.50 33.08 3mug s PRO 194 CO 0.06 -0.11 2.17 0.77 0.04 0.00 0.00 177.00 179.92 3mug h SER 195 N 4.48 0.00 -0.16 6.66 0.02 -1.29 -1.99 113.55 121.26 3mug h SER 195 Ca -0.46 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.41 3mug h SER 195 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 3mug h SER 195 CO 0.71 0.00 -0.15 0.28 -1.14 0.00 0.00 176.83 176.54 3mug h SER 196 N 0.00 0.54 0.95 3.07 0.02 -1.91 -3.07 113.55 113.15 3mug h SER 196 Ca 0.05 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 3mug h SER 196 Cb 0.26 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3mug h SER 196 CO -0.00 0.71 -0.34 0.77 -1.14 0.00 0.00 176.83 176.83 3mug h SER 197 N 0.51 0.00 -0.98 3.07 4.64 -1.75 -3.39 113.55 115.65 3mug h SER 197 Ca 0.09 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 61.69 3mug h SER 197 Cb 0.55 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.45 3mug h SER 197 CO 0.03 0.34 0.05 0.18 -0.87 0.00 0.00 176.83 176.56 3mug n LEU 198 N -3.45 -0.09 0.00 5.97 4.32 -1.16 0.60 117.00 123.19 3mug n LEU 198 Ca 0.00 1.67 0.12 0.00 -0.02 0.00 0.00 56.01 57.78 3mug n LEU 198 Cb 0.51 -0.62 0.24 0.00 -1.62 0.00 0.00 43.42 41.92 3mug n LEU 198 CO 0.36 -1.70 0.44 0.61 -1.22 0.00 0.00 177.39 175.87 3mug n GLY 199 N -1.48 -1.24 0.25 -0.72 0.00 -1.26 -4.58 105.19 96.16 3mug n GLY 199 Ca 0.24 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3mug n GLY 199 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mug n THR 200 N -1.50 1.45 -2.78 2.61 -2.24 0.06 -5.02 114.28 106.86 3mug n THR 200 Ca 0.05 0.16 -0.40 0.00 -2.27 0.00 0.00 64.05 61.59 3mug n THR 200 Cb 0.34 -2.20 -0.05 0.00 -2.10 0.00 0.00 70.33 66.31 3mug n THR 200 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3mug s GLN 203 N -2.74 4.73 -0.04 -0.78 -1.52 0.20 -5.06 119.66 114.46 3mug s GLN 203 Ca -0.25 1.41 -0.18 0.00 -1.95 0.00 0.00 55.36 54.39 3mug s GLN 203 Cb 0.04 -3.33 -0.05 0.00 -0.22 0.00 0.00 33.01 29.45 3mug s GLN 203 CO 0.36 0.38 0.51 0.95 -0.25 0.00 0.00 175.29 177.24 3mug s THR 205 N -0.58 5.03 -0.16 -0.19 -4.23 -1.26 -4.69 115.64 109.56 3mug s THR 205 Ca 0.43 1.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.99 3mug s THR 205 Cb -0.24 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.76 3mug s THR 205 CO 0.30 0.43 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.34 3mug s TYR 206 N -0.13 2.77 -0.07 3.99 2.02 -1.26 -4.99 117.35 119.69 3mug s TYR 206 Ca 0.27 -1.10 0.02 0.00 -0.37 0.00 0.00 57.07 55.89 3mug s TYR 206 Cb -0.17 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 3mug s TYR 206 CO 0.14 -0.51 -0.10 0.42 -1.57 0.00 0.00 175.55 173.93 3mug s ILE 207 N 0.86 1.00 -0.08 2.71 1.01 -1.26 -0.63 121.20 124.80 3mug s ILE 207 Ca -0.05 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 3mug s ILE 207 Cb -0.15 -0.95 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 3mug s ILE 207 CO -0.01 0.33 0.32 0.00 0.00 0.00 0.00 174.94 175.58 3mug s ASN 209 N -0.46 5.42 -0.18 0.00 -0.87 0.68 -1.35 114.94 118.18 3mug s ASN 209 Ca 0.20 -1.68 -0.13 0.00 -1.57 0.00 0.00 52.86 49.68 3mug s ASN 209 Cb -0.14 -1.90 -0.05 0.00 -0.02 0.00 0.00 41.25 39.14 3mug s ASN 209 CO 0.08 -0.52 0.26 -0.69 -2.57 0.00 0.00 177.10 173.66 3mug s VAL 210 N 1.31 5.32 -0.11 1.60 1.01 0.48 -1.07 120.40 128.94 3mug s VAL 210 Ca 0.04 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3mug s VAL 210 Cb -0.23 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.58 3mug s VAL 210 CO -0.01 0.38 -0.10 0.21 0.00 0.00 0.00 175.10 175.58 3mug s ASN 211 N 0.57 2.24 -0.72 3.32 3.84 0.92 -0.85 114.94 124.25 3mug s ASN 211 Ca 0.14 -0.35 0.04 0.00 0.21 0.00 0.00 52.86 52.91 3mug s ASN 211 Cb -0.13 -0.93 0.17 0.00 -0.55 0.00 0.00 41.25 39.82 3mug s ASN 211 CO 0.03 -0.07 0.52 -2.28 -2.79 0.00 0.00 177.10 172.50 3mug s HIS 212 N 1.46 3.61 0.35 0.43 5.65 0.03 -0.64 115.29 126.18 3mug s HIS 212 Ca 0.01 -3.32 0.12 0.00 0.25 0.00 0.00 55.06 52.12 3mug s HIS 212 Cb -0.13 -2.75 0.94 0.00 -1.18 0.00 0.00 32.58 29.45 3mug s HIS 212 CO -0.07 -0.56 1.77 0.87 -0.65 0.00 0.00 174.74 176.10 3mug h LYS 213 N 5.44 0.54 -0.00 2.88 1.57 -1.79 -1.93 116.57 123.28 3mug h LYS 213 Ca 0.15 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3mug h LYS 213 Cb 0.76 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3mug h LYS 213 CO 0.73 0.35 0.00 -1.35 -0.57 0.00 0.00 179.45 178.62 3mug h PRO 214 N 0.55 0.00 -0.02 3.15 0.11 -1.91 -2.44 132.00 131.45 3mug h PRO 214 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 3mug h PRO 214 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3mug h PRO 214 CO -0.37 0.00 -0.00 -1.13 -0.21 0.00 0.00 178.00 176.29 3mug n SER 215 N -4.29 2.05 -3.25 -2.05 3.41 -0.97 -5.00 113.62 103.52 3mug n SER 215 Ca -0.03 -1.52 -0.23 0.00 -0.26 0.00 0.00 58.87 56.82 3mug n SER 215 Cb 0.09 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.09 3mug n SER 215 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mug n ASN 216 N 0.70 -6.08 -4.64 4.04 4.13 -0.76 -4.95 115.26 107.70 3mug n ASN 216 Ca 0.07 -0.39 -0.34 0.00 1.68 0.00 0.00 54.58 55.60 3mug n ASN 216 Cb 0.32 -4.87 -0.10 0.00 -1.54 0.00 0.00 39.78 33.59 3mug n ASN 216 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3mug s THR 217 N -3.22 4.81 -0.08 3.41 2.01 -1.00 -5.00 115.64 116.56 3mug s THR 217 Ca 0.41 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.40 3mug s THR 217 Cb -0.18 -3.16 0.01 0.00 0.01 0.00 0.00 72.50 69.17 3mug s THR 217 CO 0.51 0.46 -0.14 -0.75 -0.69 0.00 0.00 174.62 174.01 3mug s LYS 218 N 0.33 1.95 -0.09 4.92 2.20 -1.26 -0.79 119.74 126.99 3mug s LYS 218 Ca 0.03 -0.48 0.01 0.00 -0.36 0.00 0.00 55.97 55.17 3mug s LYS 218 Cb -0.12 -1.64 0.02 0.00 -1.51 0.00 0.00 37.83 34.58 3mug s LYS 218 CO 0.00 -0.01 -0.10 0.08 -0.36 0.00 0.00 175.35 174.96 3mug s VAL 219 N 0.82 1.09 -0.32 4.02 1.01 -0.03 -5.01 120.40 121.98 3mug s VAL 219 Ca -0.11 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 3mug s VAL 219 Cb -0.15 -1.06 0.06 0.00 0.00 0.00 0.00 36.38 35.23 3mug s VAL 219 CO 0.02 0.36 0.05 -1.81 0.00 0.00 0.00 175.10 173.72 3mug s ASP 220 N 1.21 5.00 -0.16 3.32 1.01 -1.26 -0.38 116.67 125.41 3mug s ASP 220 Ca -0.04 -1.39 -0.02 0.00 0.71 0.00 0.00 52.55 51.80 3mug s ASP 220 Cb -0.14 -1.75 -0.02 0.00 1.01 0.00 0.00 42.92 42.02 3mug s ASP 220 CO -0.03 -0.32 -0.08 -0.75 0.21 0.00 0.00 175.17 174.21 3mug s LYS 221 N 1.25 3.50 -0.22 8.23 2.47 -0.46 -4.94 119.74 129.56 3mug s LYS 221 Ca -0.02 -0.61 -0.26 0.00 -1.56 0.00 0.00 55.97 53.52 3mug s LYS 221 Cb -0.20 -2.82 -0.00 0.00 -1.46 0.00 0.00 37.83 33.34 3mug s LYS 221 CO -0.01 0.14 0.89 0.50 0.16 0.00 0.00 175.35 177.03 3mug s ARG 222 N 0.59 4.23 -0.38 4.03 3.52 -1.26 -1.13 118.95 128.55 3mug s ARG 222 Ca -0.05 1.08 -0.14 0.00 -0.13 0.00 0.00 55.73 56.50 3mug s ARG 222 Cb -0.15 -3.63 0.01 0.00 -1.56 0.00 0.00 34.95 29.62 3mug s ARG 222 CO 0.03 -0.51 0.26 0.08 -0.81 0.00 0.00 175.30 174.35 3mug s VAL 225 N 2.81 5.10 -0.01 7.11 1.01 0.20 -4.93 120.40 131.69 3mug s VAL 225 Ca 0.38 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3mug s VAL 225 Cb -0.15 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3mug s VAL 225 CO 0.08 -0.22 -0.05 -1.61 0.00 0.00 0.00 175.10 173.30 3mug s GLU 226 N 1.66 2.63 0.35 2.72 2.02 -1.26 -4.24 118.70 122.58 3mug s GLU 226 Ca 0.05 -0.67 -0.27 0.00 0.02 0.00 0.00 54.97 54.09 3mug s GLU 226 Cb -0.19 -2.55 -0.12 0.00 0.10 0.00 0.00 34.13 31.37 3mug s GLU 226 CO 0.09 0.62 1.24 -2.30 0.02 0.00 0.00 175.26 174.93 3mug n PRO 227 N 1.59 1.98 0.00 0.39 -0.02 -1.26 -4.59 135.00 133.10 3mug n PRO 227 Ca -0.16 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.17 3mug n PRO 227 Cb 0.53 -2.27 0.73 0.00 -0.02 0.00 0.00 33.50 32.47 3mug n PRO 227 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84